#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x5d s SER 2 N 0.00 4.25 0.02 1.61 0.15 -1.26 -5.03 113.70 113.44 1x5d s SER 2 Ca 0.00 -0.14 -0.04 0.00 0.70 0.00 0.00 55.95 56.47 1x5d s SER 2 Cb 0.00 -0.99 -0.01 0.00 -1.71 0.00 0.00 66.02 63.31 1x5d s SER 2 CO 0.00 0.35 -0.08 -1.20 1.20 0.00 0.00 173.24 173.51 1x5d n SER 3 N 2.32 1.08 0.00 5.45 7.64 -1.26 -5.15 113.62 123.70 1x5d n SER 3 Ca -0.17 0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1x5d n SER 3 Cb 0.52 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 1x5d n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5d n GLY 4 N 2.96 1.39 0.38 0.23 0.00 -1.26 -4.13 105.19 104.75 1x5d n GLY 4 Ca -0.03 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 43.98 1x5d n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1x5d h SER 5 N 0.00 -0.79 -0.90 1.61 0.87 -2.02 -3.35 113.55 108.98 1x5d h SER 5 Ca 0.00 0.03 -0.54 0.00 -1.23 0.00 0.00 61.79 60.05 1x5d h SER 5 Cb 0.00 0.20 -0.43 0.00 -0.44 0.00 0.00 62.40 61.74 1x5d h SER 5 CO 0.00 -0.50 -0.83 -1.20 -0.53 0.00 0.00 176.83 173.78 1x5d n SER 6 N -4.90 4.61 0.00 6.23 7.64 -1.26 -5.09 113.62 120.84 1x5d n SER 6 Ca -0.12 -3.62 0.00 0.00 1.01 0.00 0.00 58.87 56.15 1x5d n SER 6 Cb 0.37 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1x5d n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x5d n GLY 7 N -0.64 2.04 0.30 0.23 0.00 -1.26 -1.83 105.19 104.03 1x5d n GLY 7 Ca 0.40 -0.42 0.29 0.00 0.00 0.00 0.00 46.02 46.29 1x5d n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x5d n ASP 8 N -0.91 0.31 -4.68 1.61 9.92 -1.26 -4.34 116.55 117.18 1x5d n ASP 8 Ca 0.00 1.48 -0.44 0.00 -0.53 0.00 0.00 54.79 55.29 1x5d n ASP 8 Cb 0.00 -0.72 -0.04 0.00 -0.64 0.00 0.00 41.12 39.72 1x5d n ASP 8 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1x5d n VAL 9 N -5.00 0.31 -3.70 2.53 0.31 -0.76 -4.78 118.33 107.23 1x5d n VAL 9 Ca 0.34 -0.06 -0.32 0.00 -0.01 0.00 0.00 64.34 64.30 1x5d n VAL 9 Cb 1.18 -1.93 -0.05 0.00 -0.91 0.00 0.00 33.84 32.14 1x5d n VAL 9 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1x5d s ILE 10 N 2.50 5.19 -0.15 2.52 1.01 -0.53 -4.16 121.20 127.59 1x5d s ILE 10 Ca 0.83 -0.00 -0.07 0.00 0.00 0.00 0.00 60.65 61.41 1x5d s ILE 10 Cb -0.57 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 1x5d s ILE 10 CO 0.40 0.07 0.08 -0.70 0.00 0.00 0.00 174.94 174.79 1x5d s GLU 11 N -2.60 3.67 0.33 2.79 -6.30 -1.26 -1.44 118.70 113.89 1x5d s GLU 11 Ca 0.40 -0.28 0.10 0.00 -2.50 0.00 0.00 54.97 52.68 1x5d s GLU 11 Cb -0.12 -3.16 -0.06 0.00 0.00 0.00 0.00 34.13 30.79 1x5d s GLU 11 CO 0.25 0.50 -0.08 -0.51 0.02 0.00 0.00 175.26 175.43 1x5d s LEU 12 N -0.25 2.79 0.39 2.70 1.43 -1.24 -5.00 118.68 119.51 1x5d s LEU 12 Ca 0.09 -1.09 0.05 0.00 -1.03 0.00 0.00 54.13 52.15 1x5d s LEU 12 Cb -0.12 -1.14 -0.07 0.00 0.03 0.00 0.00 46.19 44.90 1x5d s LEU 12 CO 0.01 -0.16 0.03 -0.89 0.23 0.00 0.00 176.35 175.57 1x5d s THR 13 N -2.56 1.61 0.49 5.49 2.01 -1.26 -4.83 115.64 116.59 1x5d s THR 13 Ca 0.33 -2.00 0.22 0.00 0.31 0.00 0.00 61.69 60.55 1x5d s THR 13 Cb 0.00 -2.83 0.39 0.00 0.01 0.00 0.00 72.50 70.08 1x5d s THR 13 CO 0.17 0.00 1.94 -2.24 -0.69 0.00 0.00 174.62 173.81 1x5d h ASP 14 N 1.83 0.16 0.00 3.53 2.03 -1.99 0.38 116.42 122.37 1x5d h ASP 14 Ca -0.43 0.01 -0.32 0.00 -0.73 0.00 0.00 57.03 55.56 1x5d h ASP 14 Cb 1.25 -0.02 -0.05 0.00 -0.83 0.00 0.00 39.33 39.68 1x5d h ASP 14 CO 0.76 0.08 -2.14 -0.90 -1.03 0.00 0.00 179.24 176.01 1x5d n ASP 15 N -4.41 1.97 0.04 4.15 5.68 -1.26 -4.52 116.55 118.21 1x5d n ASP 15 Ca 0.13 0.08 0.07 0.00 -0.50 0.00 0.00 54.79 54.57 1x5d n ASP 15 Cb 0.64 -0.46 0.50 0.00 -1.14 0.00 0.00 41.12 40.65 1x5d n ASP 15 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 1x5d h SER 16 N -0.38 0.33 -0.85 -1.12 0.02 -1.92 -2.53 113.55 107.11 1x5d h SER 16 Ca -0.48 -0.00 0.20 0.00 -0.84 0.00 0.00 61.79 60.67 1x5d h SER 16 Cb 1.57 -0.08 -0.15 0.00 0.14 0.00 0.00 62.40 63.88 1x5d h SER 16 CO -0.20 0.23 -0.00 0.15 -1.14 0.00 0.00 176.83 175.87 1x5d h PHE 17 N 0.38 -0.08 0.01 3.45 3.04 -0.48 1.11 116.94 124.38 1x5d h PHE 17 Ca 0.14 0.06 -0.05 0.00 3.98 0.00 0.00 57.97 62.11 1x5d h PHE 17 Cb 0.11 0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.79 1x5d h PHE 17 CO -0.00 -0.31 -0.20 0.38 -2.02 0.00 0.00 178.31 176.16 1x5d h ASP 18 N 0.07 0.16 0.14 0.41 3.04 -1.70 -0.53 116.42 118.02 1x5d h ASP 18 Ca 0.48 -0.82 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 1x5d h ASP 18 Cb 0.88 -0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.12 1x5d h ASP 18 CO -0.77 0.96 0.00 0.29 -2.04 0.00 0.00 179.24 177.68 1x5d n LYS 19 N -4.54 0.07 -0.04 4.15 5.02 -0.46 0.92 118.16 123.28 1x5d n LYS 19 Ca -0.10 0.51 -0.00 0.00 -2.02 0.00 0.00 58.31 56.70 1x5d n LYS 19 Cb 0.50 -1.71 -0.11 0.00 -0.02 0.00 0.00 35.03 33.68 1x5d n LYS 19 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1x5d n ASN 20 N -1.86 1.51 -0.04 4.39 3.02 0.37 -4.28 115.26 118.37 1x5d n ASN 20 Ca 0.00 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.50 1x5d n ASN 20 Cb 0.06 1.23 -0.02 0.00 -0.61 0.00 0.00 39.78 40.44 1x5d n ASN 20 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1x5d n VAL 21 N -2.30 1.03 -0.24 2.41 0.31 -0.21 -4.18 118.33 115.14 1x5d n VAL 21 Ca -0.14 0.25 -0.00 0.00 -0.01 0.00 0.00 64.34 64.44 1x5d n VAL 21 Cb 0.71 -1.95 0.11 0.00 -0.91 0.00 0.00 33.84 31.80 1x5d n VAL 21 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1x5d h LEU 22 N -0.55 0.55 0.00 7.52 3.38 0.36 0.20 115.31 126.77 1x5d h LEU 22 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1x5d h LEU 22 Cb 0.55 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1x5d h LEU 22 CO 0.00 0.34 0.00 -0.67 0.09 0.00 0.00 178.44 178.20 1x5d n ASP 23 N -4.80 0.00 -4.05 -0.43 2.03 -0.70 -4.63 116.55 103.98 1x5d n ASP 23 Ca 0.10 -1.83 -0.31 0.00 0.52 0.00 0.00 54.79 53.27 1x5d n ASP 23 Cb 0.21 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.45 1x5d n ASP 23 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1x5d s SER 24 N -1.13 3.56 0.29 1.67 0.15 0.71 -4.94 113.70 114.01 1x5d s SER 24 Ca 0.04 -0.94 0.23 0.00 0.70 0.00 0.00 55.95 55.98 1x5d s SER 24 Cb 0.02 -1.37 1.08 0.00 -1.71 0.00 0.00 66.02 64.04 1x5d s SER 24 CO 0.03 -0.12 1.69 -0.62 1.20 0.00 0.00 173.24 175.43 1x5d n GLU 25 N 4.61 0.17 -2.29 5.44 4.71 -1.26 -4.64 120.64 127.38 1x5d n GLU 25 Ca -0.16 0.53 -0.30 0.00 -0.01 0.00 0.00 57.16 57.22 1x5d n GLU 25 Cb 0.46 -1.92 -0.01 0.00 -1.01 0.00 0.00 31.44 28.96 1x5d n GLU 25 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1x5d s ASP 26 N -4.16 6.37 0.34 1.62 1.01 -1.26 -4.63 116.67 115.96 1x5d s ASP 26 Ca 0.01 1.31 -0.27 0.00 0.71 0.00 0.00 52.55 54.31 1x5d s ASP 26 Cb 0.08 -2.41 -0.09 0.00 1.01 0.00 0.00 42.92 41.50 1x5d s ASP 26 CO 0.29 -0.68 1.11 -0.69 0.21 0.00 0.00 175.17 175.42 1x5d s VAL 27 N -2.85 3.44 -0.15 -1.27 1.01 -1.23 -4.77 120.40 114.58 1x5d s VAL 27 Ca 0.54 1.30 -0.01 0.00 0.00 0.00 0.00 61.98 63.81 1x5d s VAL 27 Cb -0.11 -3.77 0.04 0.00 0.00 0.00 0.00 36.38 32.54 1x5d s VAL 27 CO 0.44 0.20 -0.05 0.26 0.00 0.00 0.00 175.10 175.95 1x5d s TRP 28 N -1.34 1.53 -0.63 5.22 0.52 -1.22 -1.20 118.94 121.83 1x5d s TRP 28 Ca 0.51 -0.92 -0.20 0.00 0.02 0.00 0.00 56.10 55.51 1x5d s TRP 28 Cb -0.29 -1.24 0.10 0.00 -1.15 0.00 0.00 33.47 30.88 1x5d s TRP 28 CO 0.38 -0.57 0.78 -1.64 0.02 0.00 0.00 176.95 175.91 1x5d s MET 29 N 1.69 3.09 -0.09 4.98 -1.94 0.63 -3.05 119.30 124.61 1x5d s MET 29 Ca 0.02 -1.27 -0.25 0.00 -1.71 0.00 0.00 55.69 52.49 1x5d s MET 29 Cb -0.14 -4.29 -0.03 0.00 2.01 0.00 0.00 34.83 32.38 1x5d s MET 29 CO -0.08 -1.61 0.77 0.08 -0.01 0.00 0.00 175.02 174.17 1x5d s VAL 30 N 2.92 4.98 -0.25 -6.03 1.01 -0.58 -1.09 120.40 121.35 1x5d s VAL 30 Ca 0.15 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.69 1x5d s VAL 30 Cb -0.22 -4.10 0.07 0.00 0.00 0.00 0.00 36.38 32.14 1x5d s VAL 30 CO 0.06 0.17 -0.01 -0.70 0.00 0.00 0.00 175.10 174.62 1x5d s GLU 31 N 1.25 1.37 -0.11 2.72 2.12 -0.53 -0.85 118.70 124.68 1x5d s GLU 31 Ca 0.39 -1.01 -0.26 0.00 0.36 0.00 0.00 54.97 54.45 1x5d s GLU 31 Cb -0.18 -2.51 -0.02 0.00 0.26 0.00 0.00 34.13 31.68 1x5d s GLU 31 CO 0.17 -0.68 0.84 -0.06 -0.54 0.00 0.00 175.26 174.99 1x5d s PHE 32 N 1.44 3.51 0.23 5.30 0.40 0.35 -1.87 117.98 127.34 1x5d s PHE 32 Ca -0.02 1.36 0.01 0.00 -0.60 0.00 0.00 56.93 57.68 1x5d s PHE 32 Cb -0.18 -3.00 -0.05 0.00 0.51 0.00 0.00 43.02 40.30 1x5d s PHE 32 CO -0.09 -0.12 0.09 1.52 0.70 0.00 0.00 175.22 177.32 1x5d s TYR 33 N 1.62 1.38 -0.06 0.36 -0.85 -0.85 -1.15 117.35 117.80 1x5d s TYR 33 Ca 0.41 -1.21 0.05 0.00 -0.52 0.00 0.00 57.07 55.80 1x5d s TYR 33 Cb -0.18 -0.78 -0.00 0.00 0.38 0.00 0.00 41.96 41.38 1x5d s TYR 33 CO 0.17 -0.40 -0.21 0.00 -1.52 0.00 0.00 175.55 173.60 1x5d s ALA 34 N -3.85 1.84 -1.01 9.51 0.00 -1.26 -3.37 121.76 123.61 1x5d s ALA 34 Ca 0.36 -0.83 0.14 0.00 0.00 0.00 0.00 51.96 51.63 1x5d s ALA 34 Cb 0.07 -0.63 0.61 0.00 0.00 0.00 0.00 23.12 23.17 1x5d s ALA 34 CO 0.12 0.30 1.45 -0.35 0.00 0.00 0.00 175.76 177.28 1x5d n PRO 35 N 3.25 0.01 -0.10 0.00 -0.04 -1.26 -2.11 135.00 134.76 1x5d n PRO 35 Ca -0.19 0.25 0.05 0.00 -0.04 0.00 0.00 63.50 63.57 1x5d n PRO 35 Cb 0.52 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.58 1x5d n PRO 35 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x5d n TRP 36 N -1.49 0.18 -4.60 0.54 4.27 -1.26 -4.99 117.44 110.09 1x5d n TRP 36 Ca 0.04 -0.67 -0.33 0.00 -3.89 0.00 0.00 57.50 52.64 1x5d n TRP 36 Cb 0.16 -0.10 -0.13 0.00 -1.36 0.00 0.00 31.31 29.88 1x5d n TRP 36 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1x5d h GLY 38 N 6.76 -1.10 -0.82 0.00 0.00 -1.94 -2.51 103.07 103.46 1x5d h GLY 38 Ca -0.28 0.47 0.32 0.00 0.00 0.00 0.00 47.33 47.84 1x5d h GLY 38 CO 0.58 -0.36 0.37 1.42 0.00 0.00 0.00 176.54 178.56 1x5d n HIS 39 N -4.68 0.89 0.22 5.60 8.25 -1.26 0.86 115.22 125.10 1x5d n HIS 39 Ca -0.10 0.97 -0.15 0.00 -0.26 0.00 0.00 57.72 58.18 1x5d n HIS 39 Cb 0.36 -1.34 -0.08 0.00 1.12 0.00 0.00 29.99 30.05 1x5d n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1x5d h LYS 41 N -0.66 0.10 0.00 0.00 1.57 0.75 0.44 116.57 118.76 1x5d h LYS 41 Ca -0.05 -0.01 -0.19 0.00 -1.87 0.00 0.00 60.65 58.53 1x5d h LYS 41 Cb 0.48 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.74 1x5d h LYS 41 CO 0.09 0.06 -0.92 -0.91 -0.57 0.00 0.00 179.45 177.20 1x5d h ASN 42 N 0.10 0.00 0.99 0.86 2.35 -0.97 -3.20 115.58 115.71 1x5d h ASN 42 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1x5d h ASN 42 Cb 1.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.82 1x5d h ASN 42 CO -0.05 0.88 -0.22 -0.11 -1.65 0.00 0.00 177.43 176.28 1x5d n LEU 43 N -3.30 0.44 0.16 1.61 7.94 0.13 -3.98 117.00 120.00 1x5d n LEU 43 Ca -0.00 0.37 -0.16 0.00 -1.11 0.00 0.00 56.01 55.10 1x5d n LEU 43 Cb 0.90 -0.34 -0.09 0.00 0.53 0.00 0.00 43.42 44.41 1x5d n LEU 43 CO 0.45 -0.03 0.55 -0.08 -1.11 0.00 0.00 177.39 177.17 1x5d h GLU 44 N 0.00 -0.74 0.00 1.96 4.81 -0.84 0.49 114.58 120.26 1x5d h GLU 44 Ca 0.00 0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 1x5d h GLU 44 Cb 0.61 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 1x5d h GLU 44 CO 0.00 -0.50 -0.25 -1.00 -0.73 0.00 0.00 179.01 176.54 1x5d h PRO 45 N -0.77 0.00 0.01 0.92 0.13 -1.77 -0.03 132.00 130.49 1x5d h PRO 45 Ca -0.01 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.93 1x5d h PRO 45 Cb 0.75 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 1x5d h PRO 45 CO -0.21 0.25 -0.90 0.93 -0.23 0.00 0.00 178.00 177.83 1x5d h GLU 46 N 0.00 0.09 0.13 0.86 4.39 -1.53 -3.14 114.58 115.37 1x5d h GLU 46 Ca -0.00 -0.11 -0.31 0.00 0.34 0.00 0.00 59.36 59.28 1x5d h GLU 46 Cb 0.68 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1x5d h GLU 46 CO 0.03 0.92 -1.61 2.35 -1.16 0.00 0.00 179.01 179.55 1x5d h TRP 47 N 0.04 0.48 -0.20 4.33 2.91 0.17 -3.08 115.95 120.60 1x5d h TRP 47 Ca -0.03 -0.35 0.06 0.00 1.13 0.00 0.00 58.89 59.69 1x5d h TRP 47 Cb 1.56 -0.02 -0.07 0.00 -0.51 0.00 0.00 29.16 30.12 1x5d h TRP 47 CO 0.01 1.63 -0.27 0.00 -1.03 0.00 0.00 178.44 178.78 1x5d h ALA 48 N -0.02 -0.23 0.20 2.65 0.00 -1.11 -1.84 119.26 118.92 1x5d h ALA 48 Ca -0.34 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1x5d h ALA 48 Cb 1.87 0.55 0.00 0.00 0.00 0.00 0.00 17.79 20.21 1x5d h ALA 48 CO 0.07 -0.72 -0.10 0.00 0.00 0.00 0.00 179.25 178.50 1x5d h ALA 49 N 0.64 -0.27 -1.38 0.00 0.00 -1.72 -2.93 119.26 113.59 1x5d h ALA 49 Ca 0.12 -0.16 0.44 0.00 0.00 0.00 0.00 54.91 55.32 1x5d h ALA 49 Cb 0.50 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.27 1x5d h ALA 49 CO -0.37 -0.52 0.91 0.00 0.00 0.00 0.00 179.25 179.26 1x5d h ALA 50 N 0.19 2.85 -0.40 0.00 0.00 -1.41 0.82 119.26 121.31 1x5d h ALA 50 Ca -0.03 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1x5d h ALA 50 Cb 0.40 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1x5d h ALA 50 CO 0.05 -1.47 0.13 0.00 0.00 0.00 0.00 179.25 177.96 1x5d h ALA 51 N 1.53 0.53 -0.28 0.00 0.00 -1.14 0.23 119.26 120.13 1x5d h ALA 51 Ca 0.82 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.46 1x5d h ALA 51 Cb 2.67 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 20.30 1x5d h ALA 51 CO -0.36 0.17 -0.23 0.77 0.00 0.00 0.00 179.25 179.59 1x5d h SER 52 N 0.51 0.68 0.36 0.00 0.02 0.57 0.30 113.55 115.99 1x5d h SER 52 Ca 0.13 -0.45 -0.05 0.00 -0.84 0.00 0.00 61.79 60.58 1x5d h SER 52 Cb 0.25 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1x5d h SER 52 CO -0.01 0.99 -0.23 -0.08 -1.14 0.00 0.00 176.83 176.37 1x5d h GLU 53 N 0.37 0.00 0.12 3.45 4.57 -1.09 -0.41 114.58 121.60 1x5d h GLU 53 Ca 0.05 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.89 1x5d h GLU 53 Cb 0.78 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 1x5d h GLU 53 CO 0.06 0.23 -1.77 0.28 -1.18 0.00 0.00 179.01 176.63 1x5d h VAL 54 N 0.00 0.88 -0.36 0.32 2.07 -0.78 -2.87 116.25 115.50 1x5d h VAL 54 Ca -0.00 -2.56 -0.13 0.00 0.82 0.00 0.00 66.70 64.83 1x5d h VAL 54 Cb 0.47 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1x5d h VAL 54 CO 0.03 0.81 -0.30 0.50 0.02 0.00 0.00 177.57 178.63 1x5d h LYS 55 N 0.07 0.79 0.02 1.57 3.64 -0.22 0.41 116.57 122.85 1x5d h LYS 55 Ca -0.33 -0.36 -0.23 0.00 -1.27 0.00 0.00 60.65 58.45 1x5d h LYS 55 Cb 2.04 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.85 1x5d h LYS 55 CO 0.13 0.99 -0.98 1.05 -2.27 0.00 0.00 179.45 178.37 1x5d h GLU 56 N 0.67 0.37 0.09 1.90 4.11 -1.22 1.85 114.58 122.34 1x5d h GLU 56 Ca 0.08 -0.42 -0.28 0.00 0.07 0.00 0.00 59.36 58.81 1x5d h GLU 56 Cb 0.84 0.13 0.03 0.00 0.50 0.00 0.00 28.75 30.24 1x5d h GLU 56 CO 0.07 1.10 -1.13 1.96 0.07 0.00 0.00 179.01 181.09 1x5d h GLN 57 N 0.19 0.61 -0.19 1.06 4.20 -1.43 -3.20 115.11 116.35 1x5d h GLN 57 Ca -0.08 -0.77 0.00 0.00 0.06 0.00 0.00 58.65 57.85 1x5d h GLN 57 Cb 1.62 0.25 0.00 0.00 0.30 0.00 0.00 27.48 29.65 1x5d h GLN 57 CO 0.17 1.34 0.00 0.25 -0.67 0.00 0.00 178.83 179.92 1x5d n THR 58 N -3.86 0.25 -2.08 -0.54 -2.24 0.14 -4.89 114.28 101.05 1x5d n THR 58 Ca -0.13 -0.33 -0.20 0.00 -2.27 0.00 0.00 64.05 61.12 1x5d n THR 58 Cb 0.93 0.25 -0.04 0.00 -2.10 0.00 0.00 70.33 69.37 1x5d n THR 58 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1x5d n LYS 59 N 0.23 -1.51 0.00 -0.78 4.01 -0.50 -0.96 118.16 118.65 1x5d n LYS 59 Ca 0.14 1.05 0.00 0.00 -0.51 0.00 0.00 58.31 58.99 1x5d n LYS 59 Cb 0.28 -5.55 0.00 0.00 -0.51 0.00 0.00 35.03 29.25 1x5d n LYS 59 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1x5d n GLY 60 N -0.84 1.49 0.12 0.72 0.00 0.62 -4.96 105.19 102.34 1x5d n GLY 60 Ca -0.22 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.76 1x5d n GLY 60 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1x5d h LYS 61 N 3.06 -0.20 -6.57 1.61 1.63 -1.29 -3.37 116.57 111.45 1x5d h LYS 61 Ca 0.00 0.01 -0.56 0.00 -0.85 0.00 0.00 60.65 59.26 1x5d h LYS 61 Cb 0.00 0.04 -0.08 0.00 -0.60 0.00 0.00 32.23 31.60 1x5d h LYS 61 CO 0.00 -0.13 0.94 0.08 -3.45 0.00 0.00 179.45 176.89 1x5d s VAL 62 N -3.68 4.08 0.16 2.00 1.01 -1.26 -3.48 120.40 119.23 1x5d s VAL 62 Ca -0.04 0.95 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 1x5d s VAL 62 Cb 0.01 -4.69 -0.05 0.00 0.00 0.00 0.00 36.38 31.65 1x5d s VAL 62 CO 0.15 -1.25 0.38 -0.54 0.00 0.00 0.00 175.10 173.84 1x5d s LYS 63 N 4.78 3.60 -0.10 2.72 1.02 -0.34 -4.22 119.74 127.20 1x5d s LYS 63 Ca 0.43 -0.12 0.02 0.00 0.02 0.00 0.00 55.97 56.33 1x5d s LYS 63 Cb -0.08 -2.84 -0.01 0.00 -0.52 0.00 0.00 37.83 34.38 1x5d s LYS 63 CO 0.27 0.45 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.46 1x5d s LEU 64 N -2.79 2.47 0.15 3.17 1.02 -1.26 -0.27 118.68 121.17 1x5d s LEU 64 Ca 0.41 -0.39 0.01 0.00 0.02 0.00 0.00 54.13 54.18 1x5d s LEU 64 Cb -0.12 -1.52 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 1x5d s LEU 64 CO 0.25 0.20 -0.00 0.00 0.02 0.00 0.00 176.35 176.82 1x5d s ALA 65 N 0.11 1.19 0.14 4.21 0.00 -0.25 -1.46 121.76 125.70 1x5d s ALA 65 Ca -0.08 -1.52 0.08 0.00 0.00 0.00 0.00 51.96 50.43 1x5d s ALA 65 Cb -0.15 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1x5d s ALA 65 CO 0.05 -0.33 -0.18 0.00 0.00 0.00 0.00 175.76 175.31 1x5d s ALA 66 N -3.71 1.83 -0.01 0.00 0.00 -0.52 -1.45 121.76 117.89 1x5d s ALA 66 Ca 0.21 -1.39 0.01 0.00 0.00 0.00 0.00 51.96 50.79 1x5d s ALA 66 Cb 0.06 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1x5d s ALA 66 CO 0.02 0.23 -0.03 0.08 0.00 0.00 0.00 175.76 176.05 1x5d s VAL 67 N -1.89 0.30 -0.62 0.00 1.01 -0.78 -3.65 120.40 114.78 1x5d s VAL 67 Ca 0.12 -0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.77 1x5d s VAL 67 Cb -0.06 -0.29 0.07 0.00 0.00 0.00 0.00 36.38 36.09 1x5d s VAL 67 CO 0.05 0.11 0.90 -1.81 0.00 0.00 0.00 175.10 174.36 1x5d s ASP 68 N 0.25 6.21 0.12 3.32 1.11 -1.26 -2.00 116.67 124.41 1x5d s ASP 68 Ca -0.02 -0.91 0.08 0.00 0.18 0.00 0.00 52.55 51.87 1x5d s ASP 68 Cb -0.05 -2.40 0.41 0.00 1.07 0.00 0.00 42.92 41.95 1x5d s ASP 68 CO -0.00 -1.32 1.21 0.00 1.18 0.00 0.00 175.17 176.24 1x5d n ALA 69 N 7.38 0.96 0.49 5.23 0.00 -1.22 -0.37 120.51 132.99 1x5d n ALA 69 Ca -0.04 0.07 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1x5d n ALA 69 Cb 0.45 -1.06 0.32 0.00 0.00 0.00 0.00 19.45 19.16 1x5d n ALA 69 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1x5d h THR 70 N 0.00 0.00 0.00 0.00 1.35 -1.90 -3.37 112.91 109.00 1x5d h THR 70 Ca 0.00 -0.64 -0.00 0.00 -0.55 0.00 0.00 66.41 65.21 1x5d h THR 70 Cb 0.06 1.62 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1x5d h THR 70 CO 0.00 0.00 -1.00 0.52 -0.25 0.00 0.00 175.52 174.79 1x5d n VAL 71 N -2.52 0.00 -2.70 6.82 0.31 0.50 -4.97 118.33 115.78 1x5d n VAL 71 Ca 0.05 -0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.95 1x5d n VAL 71 Cb 0.46 -0.64 -0.03 0.00 -0.91 0.00 0.00 33.84 32.73 1x5d n VAL 71 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1x5d s ASN 72 N -3.74 6.45 -0.14 4.52 0.01 0.38 -4.82 114.94 117.60 1x5d s ASN 72 Ca -0.00 0.02 0.07 0.00 -0.71 0.00 0.00 52.86 52.24 1x5d s ASN 72 Cb 0.00 -2.50 -0.13 0.00 0.41 0.00 0.00 41.25 39.02 1x5d s ASN 72 CO 0.00 -1.31 -0.03 0.00 -1.51 0.00 0.00 177.10 174.26 1x5d n GLN 73 N 7.87 1.38 -0.34 -0.60 1.13 -1.26 -3.77 117.38 121.79 1x5d n GLN 73 Ca 0.07 0.03 0.10 0.00 -1.94 0.00 0.00 57.00 55.26 1x5d n GLN 73 Cb 0.48 -1.32 0.30 0.00 0.11 0.00 0.00 30.24 29.81 1x5d n GLN 73 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1x5d h VAL 74 N 0.00 0.82 0.00 5.09 2.07 -1.93 -1.05 116.25 121.25 1x5d h VAL 74 Ca -0.34 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 66.79 1x5d h VAL 74 Cb 1.68 -0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1x5d h VAL 74 CO -0.01 0.16 -0.76 -0.07 0.02 0.00 0.00 177.57 176.90 1x5d h LEU 75 N 0.86 0.00 -1.79 2.57 3.38 -1.88 -3.08 115.31 115.37 1x5d h LEU 75 Ca 0.52 -0.26 0.43 0.00 0.09 0.00 0.00 57.88 58.67 1x5d h LEU 75 Cb 0.69 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 1x5d h LEU 75 CO -0.30 1.06 1.19 0.00 0.09 0.00 0.00 178.44 180.48 1x5d h ALA 76 N -0.74 3.40 0.07 1.53 0.00 -1.63 1.13 119.26 123.02 1x5d h ALA 76 Ca -0.15 -0.05 -0.33 0.00 0.00 0.00 0.00 54.91 54.39 1x5d h ALA 76 Cb 0.83 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 1x5d h ALA 76 CO -0.09 -1.96 -1.81 0.77 0.00 0.00 0.00 179.25 176.16 1x5d h SER 77 N 0.00 0.23 -0.44 0.00 0.02 -1.34 0.84 113.55 112.86 1x5d h SER 77 Ca 0.71 -0.49 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 1x5d h SER 77 Cb 3.09 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 65.53 1x5d h SER 77 CO -0.01 1.43 0.23 -0.09 -1.14 0.00 0.00 176.83 177.26 1x5d h ARG 78 N 0.04 0.62 0.00 3.45 2.43 0.14 -3.15 114.38 117.91 1x5d h ARG 78 Ca -0.34 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1x5d h ARG 78 Cb 2.02 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 31.45 1x5d h ARG 78 CO 0.09 0.51 -1.86 0.66 -1.51 0.00 0.00 179.97 177.86 1x5d n TYR 79 N -4.69 0.08 -1.70 2.20 4.01 -0.34 -5.00 117.16 111.73 1x5d n TYR 79 Ca 0.01 0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1x5d n TYR 79 Cb 0.09 -0.52 0.00 0.00 -0.31 0.00 0.00 39.34 38.60 1x5d n TYR 79 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x5d n GLY 80 N 1.26 0.93 3.57 2.72 0.00 0.12 -4.98 105.19 108.81 1x5d n GLY 80 Ca -0.03 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 1x5d n GLY 80 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x5d s ILE 81 N -2.52 3.29 0.00 -0.61 -1.09 0.27 -4.64 121.20 115.90 1x5d s ILE 81 Ca 0.00 0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 1x5d s ILE 81 Cb 0.00 -3.59 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1x5d s ILE 81 CO 0.00 -0.51 0.00 -2.11 -1.23 0.00 0.00 174.94 171.09 1x5d n ARG 82 N 8.89 2.35 -3.40 2.79 -4.01 -1.26 -4.84 116.66 117.18 1x5d n ARG 82 Ca 0.25 0.00 -0.44 0.00 -1.04 0.00 0.00 57.85 56.62 1x5d n ARG 82 Cb 0.51 -0.79 -0.06 0.00 -3.04 0.00 0.00 32.46 29.07 1x5d n ARG 82 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 1x5d s GLY 83 N -2.16 2.11 0.19 2.89 0.00 -1.26 -5.06 107.32 104.03 1x5d s GLY 83 Ca 0.00 -2.59 -0.01 0.00 0.00 0.00 0.00 44.72 42.12 1x5d s GLY 83 CO 0.00 1.17 0.38 -1.36 0.00 0.00 0.00 173.10 173.30 1x5d s PHE 84 N 1.42 3.48 0.93 1.90 0.08 -1.26 -4.15 117.98 120.38 1x5d s PHE 84 Ca 0.05 0.36 -0.12 0.00 0.12 0.00 0.00 56.93 57.34 1x5d s PHE 84 Cb -0.28 -1.87 0.15 0.00 -0.57 0.00 0.00 43.02 40.46 1x5d s PHE 84 CO 0.01 0.39 1.09 -1.25 -0.10 0.00 0.00 175.22 175.36 1x5d s PRO 85 N -3.23 0.97 -0.16 0.24 0.04 -1.26 -4.90 135.00 126.70 1x5d s PRO 85 Ca 0.39 0.71 -0.04 0.00 0.04 0.00 0.00 61.00 62.10 1x5d s PRO 85 Cb -0.11 -1.78 0.06 0.00 0.04 0.00 0.00 34.50 32.71 1x5d s PRO 85 CO 0.28 -2.41 0.13 0.99 0.04 0.00 0.00 177.00 176.03 1x5d s THR 86 N -2.95 -0.17 -0.23 1.26 2.01 -0.30 -4.95 115.64 110.31 1x5d s THR 86 Ca 0.64 -0.04 -0.09 0.00 0.31 0.00 0.00 61.69 62.51 1x5d s THR 86 Cb -0.18 -0.53 -0.04 0.00 0.01 0.00 0.00 72.50 71.76 1x5d s THR 86 CO 0.57 -0.17 0.11 -0.63 -0.69 0.00 0.00 174.62 173.81 1x5d s ILE 87 N 2.21 4.90 -0.02 1.82 1.01 -1.26 -0.49 121.20 129.36 1x5d s ILE 87 Ca 0.04 0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.72 1x5d s ILE 87 Cb -0.15 -3.27 0.01 0.00 0.01 0.00 0.00 42.46 39.05 1x5d s ILE 87 CO -0.09 0.36 -0.05 -0.54 0.00 0.00 0.00 174.94 174.62 1x5d s LYS 88 N 1.13 0.59 -0.13 2.79 -0.14 -0.03 -1.92 119.74 122.03 1x5d s LYS 88 Ca 0.06 -0.16 -0.04 0.00 -1.36 0.00 0.00 55.97 54.46 1x5d s LYS 88 Cb -0.14 -0.59 -0.04 0.00 -1.68 0.00 0.00 37.83 35.38 1x5d s LYS 88 CO 0.04 0.05 0.03 0.42 -0.76 0.00 0.00 175.35 175.13 1x5d s ILE 89 N 0.27 4.56 -0.08 2.17 1.09 -1.24 -1.53 121.20 126.44 1x5d s ILE 89 Ca -0.03 -0.14 0.03 0.00 -1.10 0.00 0.00 60.65 59.41 1x5d s ILE 89 Cb -0.07 -2.98 0.01 0.00 -1.06 0.00 0.00 42.46 38.36 1x5d s ILE 89 CO -0.00 0.55 -0.18 -0.36 -0.10 0.00 0.00 174.94 174.85 1x5d s PHE 90 N -0.38 2.01 0.01 3.97 0.40 -1.17 -1.48 117.98 121.34 1x5d s PHE 90 Ca 0.08 -0.80 0.08 0.00 -0.60 0.00 0.00 56.93 55.70 1x5d s PHE 90 Cb -0.12 -1.39 -0.02 0.00 0.51 0.00 0.00 43.02 41.99 1x5d s PHE 90 CO 0.02 -0.36 -0.26 -0.65 0.70 0.00 0.00 175.22 174.68 1x5d s GLN 91 N 0.53 1.94 -0.15 0.44 -0.21 -1.26 -3.41 119.66 117.54 1x5d s GLN 91 Ca -0.16 -0.99 -0.29 0.00 0.02 0.00 0.00 55.36 53.93 1x5d s GLN 91 Cb -0.17 -1.98 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 1x5d s GLN 91 CO 0.06 0.53 1.44 0.21 -2.12 0.00 0.00 175.29 175.41 1x5d s LYS 92 N -0.88 4.12 0.00 2.91 2.47 -1.26 -3.02 119.74 124.08 1x5d s LYS 92 Ca 0.11 1.79 0.00 0.00 -1.56 0.00 0.00 55.97 56.31 1x5d s LYS 92 Cb -0.10 -3.89 0.00 0.00 -1.46 0.00 0.00 37.83 32.38 1x5d s LYS 92 CO 0.00 -0.88 0.00 0.41 0.16 0.00 0.00 175.35 175.04 1x5d n GLY 93 N 4.00 3.05 3.81 5.54 0.00 -1.26 -5.05 105.19 115.29 1x5d n GLY 93 Ca 0.16 -0.97 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 1x5d n GLY 93 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1x5d s GLU 94 N 0.00 2.51 0.57 1.61 -1.05 -1.17 -5.12 118.70 116.06 1x5d s GLU 94 Ca 0.00 -1.50 -0.15 0.00 -0.15 0.00 0.00 54.97 53.17 1x5d s GLU 94 Cb 0.00 -2.30 -0.05 0.00 -0.44 0.00 0.00 34.13 31.34 1x5d s GLU 94 CO 0.00 -0.01 1.02 -1.54 0.95 0.00 0.00 175.26 175.68 1x5d s SER 95 N -3.98 6.17 0.86 0.83 1.04 -1.26 -4.34 113.70 113.01 1x5d s SER 95 Ca 0.42 1.64 -0.11 0.00 0.48 0.00 0.00 55.95 58.37 1x5d s SER 95 Cb -0.03 -2.51 0.11 0.00 0.10 0.00 0.00 66.02 63.69 1x5d s SER 95 CO 0.25 -0.90 1.09 -2.16 0.98 0.00 0.00 173.24 172.50 1x5d s PRO 96 N -4.32 1.57 0.46 4.02 0.04 -1.26 -4.63 135.00 130.89 1x5d s PRO 96 Ca 0.60 0.93 0.01 0.00 0.04 0.00 0.00 61.00 62.58 1x5d s PRO 96 Cb -0.12 -1.84 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 1x5d s PRO 96 CO 0.39 -2.05 0.04 1.33 0.04 0.00 0.00 177.00 176.74 1x5d n VAL 97 N -3.77 0.00 -3.99 -0.36 0.24 -0.55 -5.01 118.33 104.89 1x5d n VAL 97 Ca 0.08 -2.29 -0.31 0.00 -2.04 0.00 0.00 64.34 59.77 1x5d n VAL 97 Cb 0.55 0.56 -0.15 0.00 -1.47 0.00 0.00 33.84 33.33 1x5d n VAL 97 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1x5d s ASP 98 N -3.60 4.33 -0.17 -1.34 -4.77 -1.26 -3.59 116.67 106.27 1x5d s ASP 98 Ca 0.06 -1.57 -0.29 0.00 -3.30 0.00 0.00 52.55 47.45 1x5d s ASP 98 Cb 0.00 -1.41 -0.03 0.00 -1.09 0.00 0.00 42.92 40.40 1x5d s ASP 98 CO 0.04 -0.27 1.50 -0.47 0.70 0.00 0.00 175.17 176.67 1x5d s TYR 99 N 1.17 2.32 -0.12 2.11 6.14 -0.81 -4.99 117.35 123.17 1x5d s TYR 99 Ca -0.01 0.60 -0.02 0.00 0.64 0.00 0.00 57.07 58.28 1x5d s TYR 99 Cb -0.19 -3.84 0.04 0.00 0.42 0.00 0.00 41.96 38.39 1x5d s TYR 99 CO -0.08 -2.75 0.00 -0.51 0.64 0.00 0.00 175.55 172.86 1x5d s ASP 100 N 3.28 2.12 0.00 4.32 1.01 -1.26 -4.55 116.67 121.59 1x5d s ASP 100 Ca 0.66 -0.36 0.00 0.00 0.71 0.00 0.00 52.55 53.56 1x5d s ASP 100 Cb -0.25 -0.56 0.00 0.00 1.01 0.00 0.00 42.92 43.12 1x5d s ASP 100 CO 0.25 -0.22 0.00 0.61 0.21 0.00 0.00 175.17 176.02 1x5d n GLY 101 N 5.08 -0.52 3.92 0.21 0.00 -1.26 -5.16 105.19 107.46 1x5d n GLY 101 Ca -0.08 0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1x5d n GLY 101 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x5d s GLY 102 N 0.00 1.64 -0.46 -0.02 0.00 -1.26 -5.02 107.32 102.20 1x5d s GLY 102 Ca 0.00 -0.75 0.05 0.00 0.00 0.00 0.00 44.72 44.02 1x5d s GLY 102 CO 0.00 -0.35 1.13 -2.13 0.00 0.00 0.00 173.10 171.74 1x5d n ARG 103 N -2.94 3.41 -4.04 2.90 0.63 -1.26 -4.70 116.66 110.65 1x5d n ARG 103 Ca 0.07 -4.50 -0.15 0.00 -0.92 0.00 0.00 57.85 52.34 1x5d n ARG 103 Cb 0.60 -2.25 -0.15 0.00 0.45 0.00 0.00 32.46 31.11 1x5d n ARG 103 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1x5d s THR 104 N -5.47 0.27 0.38 5.15 -4.23 -1.26 -4.92 115.64 105.57 1x5d s THR 104 Ca 0.48 -0.10 0.28 0.00 -1.18 0.00 0.00 61.69 61.17 1x5d s THR 104 Cb 0.39 -0.27 0.43 0.00 1.34 0.00 0.00 72.50 74.40 1x5d s THR 104 CO -0.19 0.10 1.38 -2.11 -0.54 0.00 0.00 174.62 173.26 1x5d n ARG 105 N 3.29 -0.03 0.18 3.99 1.85 -1.19 0.13 116.66 124.88 1x5d n ARG 105 Ca -0.16 1.12 -0.16 0.00 -1.00 0.00 0.00 57.85 57.64 1x5d n ARG 105 Cb 0.56 -2.18 -0.09 0.00 -1.05 0.00 0.00 32.46 29.70 1x5d n ARG 105 CO 0.00 0.00 0.00 0.77 -0.01 0.00 0.00 177.63 178.39 1x5d h SER 106 N 0.00 -1.39 0.28 2.89 0.02 -1.95 0.24 113.55 113.64 1x5d h SER 106 Ca 0.78 0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.85 1x5d h SER 106 Cb 2.47 0.49 0.00 0.00 0.14 0.00 0.00 62.40 65.51 1x5d h SER 106 CO -0.43 -0.58 -0.13 0.44 -1.14 0.00 0.00 176.83 174.99 1x5d h ASP 107 N -0.82 -0.31 -1.01 3.07 3.32 -0.67 -0.92 116.42 119.08 1x5d h ASP 107 Ca -0.02 -0.18 0.28 0.00 0.02 0.00 0.00 57.03 57.13 1x5d h ASP 107 Cb 0.78 0.08 -0.13 0.00 0.22 0.00 0.00 39.33 40.27 1x5d h ASP 107 CO -0.19 0.03 0.59 0.40 -1.72 0.00 0.00 179.24 178.36 1x5d h ILE 108 N -0.69 0.44 -0.03 0.35 2.04 -1.26 -0.14 117.51 118.22 1x5d h ILE 108 Ca -0.04 -0.16 -0.07 0.00 1.00 0.00 0.00 64.86 65.60 1x5d h ILE 108 Cb 0.48 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1x5d h ILE 108 CO 0.06 0.09 -0.24 0.58 0.00 0.00 0.00 178.15 178.64 1x5d h VAL 109 N 0.47 1.48 -0.85 1.67 2.07 -0.42 -3.03 116.25 117.65 1x5d h VAL 109 Ca 0.68 -1.76 0.22 0.00 0.82 0.00 0.00 66.70 66.65 1x5d h VAL 109 Cb 1.43 2.52 -0.14 0.00 -1.52 0.00 0.00 31.29 33.58 1x5d h VAL 109 CO -0.52 0.49 0.14 -1.28 0.02 0.00 0.00 177.57 176.42 1x5d h SER 110 N -0.37 -0.16 0.32 0.57 0.87 0.41 -0.80 113.55 114.39 1x5d h SER 110 Ca -0.02 0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1x5d h SER 110 Cb 0.92 0.31 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1x5d h SER 110 CO 0.05 -0.18 -0.15 -0.09 -0.53 0.00 0.00 176.83 175.92 1x5d h ARG 111 N 0.16 -0.41 -1.25 2.24 9.65 -1.45 -2.69 114.38 120.63 1x5d h ARG 111 Ca 0.51 0.03 0.44 0.00 -1.10 0.00 0.00 59.98 59.86 1x5d h ARG 111 Cb 1.00 0.09 -0.15 0.00 -1.39 0.00 0.00 29.97 29.53 1x5d h ARG 111 CO -0.68 -0.12 0.77 0.00 2.80 0.00 0.00 179.97 182.74 1x5d h ALA 112 N -0.11 2.59 -0.04 2.80 0.00 -1.03 1.32 119.26 124.79 1x5d h ALA 112 Ca -0.04 0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 1x5d h ALA 112 Cb 0.48 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1x5d h ALA 112 CO 0.07 -1.29 -0.91 -0.07 0.00 0.00 0.00 179.25 177.05 1x5d h LEU 113 N 0.05 0.74 -2.17 0.00 3.38 -1.25 -0.57 115.31 115.48 1x5d h LEU 113 Ca 0.85 -0.55 0.05 0.00 0.09 0.00 0.00 57.88 58.32 1x5d h LEU 113 Cb 2.55 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 43.07 1x5d h LEU 113 CO -0.54 1.34 0.15 0.44 0.09 0.00 0.00 178.44 179.93 1x5d h ASP 114 N 0.36 0.00 0.04 -0.43 3.32 0.20 -2.16 116.42 117.75 1x5d h ASP 114 Ca -0.08 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.59 1x5d h ASP 114 Cb 1.54 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 41.04 1x5d h ASP 114 CO 0.17 0.00 -2.17 0.18 -1.72 0.00 0.00 179.24 175.70 1x5d n LEU 115 N -4.09 2.49 -0.34 1.55 4.77 -0.86 -4.05 117.00 116.46 1x5d n LEU 115 Ca 0.01 0.15 0.17 0.00 -0.03 0.00 0.00 56.01 56.31 1x5d n LEU 115 Cb 0.28 -0.96 0.37 0.00 -2.33 0.00 0.00 43.42 40.78 1x5d n LEU 115 CO 0.31 0.73 1.14 0.15 -1.33 0.00 0.00 177.39 178.39 1x5d h PHE 116 N -0.35 0.95 -0.48 -1.77 3.57 -0.79 0.29 116.94 118.37 1x5d h PHE 116 Ca -0.53 0.04 -0.11 0.00 3.53 0.00 0.00 57.97 60.90 1x5d h PHE 116 Cb 1.78 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 40.24 1x5d h PHE 116 CO 0.03 0.05 -0.13 0.66 -2.23 0.00 0.00 178.31 176.69 1x5d h SER 117 N 0.55 0.90 -0.45 0.41 4.64 -1.53 0.74 113.55 118.81 1x5d h SER 117 Ca 0.63 -0.29 -0.06 0.00 -0.47 0.00 0.00 61.79 61.59 1x5d h SER 117 Cb 1.18 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 1x5d h SER 117 CO -0.48 1.03 0.03 0.44 -0.87 0.00 0.00 176.83 176.97 1x5d h ASP 118 N 0.80 0.75 0.00 4.97 5.19 -0.64 -3.40 116.42 124.09 1x5d h ASP 118 Ca 0.13 -0.29 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 1x5d h ASP 118 Cb 0.66 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.97 1x5d h ASP 118 CO 0.05 0.86 0.00 0.59 -3.12 0.00 0.00 179.24 177.61 1x5d n ASN 119 N -4.42 0.00 -4.76 6.45 3.02 -0.18 -4.97 115.26 110.40 1x5d n ASN 119 Ca 0.00 0.12 -0.35 0.00 -0.03 0.00 0.00 54.58 54.32 1x5d n ASN 119 Cb 0.28 -0.29 0.03 0.00 -0.61 0.00 0.00 39.78 39.20 1x5d n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x5d s ALA 120 N -3.67 2.53 -0.34 5.41 0.00 0.26 -4.93 121.76 121.01 1x5d s ALA 120 Ca 0.00 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.51 1x5d s ALA 120 Cb 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 1x5d s ALA 120 CO 0.00 -1.15 1.69 -1.25 0.00 0.00 0.00 175.76 175.05 1x5d s PRO 121 N -3.55 3.43 0.88 0.00 0.04 -1.26 -4.00 135.00 130.54 1x5d s PRO 121 Ca 0.73 1.33 -0.11 0.00 0.04 0.00 0.00 61.00 62.99 1x5d s PRO 121 Cb -0.26 -4.14 0.12 0.00 0.04 0.00 0.00 34.50 30.26 1x5d s PRO 121 CO 0.34 -1.74 1.09 -1.25 0.04 0.00 0.00 177.00 175.49 1x5d s PRO 122 N 5.40 1.37 0.93 0.56 0.04 -1.26 -5.01 135.00 137.03 1x5d s PRO 122 Ca 0.75 0.86 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 1x5d s PRO 122 Cb -0.21 -1.82 0.15 0.00 0.04 0.00 0.00 34.50 32.66 1x5d s PRO 122 CO 0.33 -2.18 1.09 -1.25 0.04 0.00 0.00 177.00 175.04 1x5d s PRO 123 N -4.93 0.99 -0.30 0.56 0.04 -1.26 -5.02 135.00 125.08 1x5d s PRO 123 Ca 0.63 0.72 -0.12 0.00 0.04 0.00 0.00 61.00 62.27 1x5d s PRO 123 Cb -0.18 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1x5d s PRO 123 CO 0.57 -2.40 0.21 -2.00 0.04 0.00 0.00 177.00 173.42 1x5d s GLU 124 N -4.95 3.77 -0.17 4.56 2.56 -1.26 -4.94 118.70 118.27 1x5d s GLU 124 Ca 0.64 -0.45 0.15 0.00 0.00 0.00 0.00 54.97 55.31 1x5d s GLU 124 Cb -0.18 -3.71 0.73 0.00 2.00 0.00 0.00 34.13 32.97 1x5d s GLU 124 CO 0.57 -0.28 1.63 1.28 -0.56 0.00 0.00 175.26 177.90 1x5d n LEU 125 N 5.07 5.02 -3.63 2.70 7.99 -1.26 -4.82 117.00 128.08 1x5d n LEU 125 Ca -0.14 -2.54 -0.22 0.00 -0.01 0.00 0.00 56.01 53.11 1x5d n LEU 125 Cb 0.51 -0.62 -0.17 0.00 -0.11 0.00 0.00 43.42 43.03 1x5d n LEU 125 CO 0.34 0.69 -0.30 -0.22 -1.51 0.00 0.00 177.39 176.39 1x5d s LEU 126 N -2.19 0.15 0.22 2.23 2.96 -1.26 -5.03 118.68 115.76 1x5d s LEU 126 Ca 0.50 -0.17 -0.09 0.00 -0.22 0.00 0.00 54.13 54.14 1x5d s LEU 126 Cb 0.35 -0.05 0.32 0.00 0.50 0.00 0.00 46.19 47.32 1x5d s LEU 126 CO 0.19 -0.30 1.69 -0.08 -1.32 0.00 0.00 176.35 176.53 1x5d h GLU 127 N 8.41 0.20 -6.15 1.98 4.81 -2.05 -3.39 114.58 118.39 1x5d h GLU 127 Ca -0.14 -0.01 -0.57 0.00 -0.13 0.00 0.00 59.36 58.50 1x5d h GLU 127 Cb 1.13 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.42 1x5d h GLU 127 CO 0.22 0.13 -0.04 0.45 -0.73 0.00 0.00 179.01 179.04 1x5d s SER 128 N -5.26 7.00 0.00 1.04 0.15 -1.26 -5.07 113.70 110.30 1x5d s SER 128 Ca -0.13 1.19 0.00 0.00 0.70 0.00 0.00 55.95 57.71 1x5d s SER 128 Cb 0.19 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1x5d s SER 128 CO 0.74 0.21 0.00 0.61 1.20 0.00 0.00 173.24 176.00 1x5d n GLY 129 N 2.04 6.39 3.75 9.45 0.00 -1.26 -5.09 105.19 120.46 1x5d n GLY 129 Ca -0.09 -1.74 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 1x5d n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x5d s PRO 130 N 1.30 4.43 0.16 1.61 0.04 -1.26 -4.95 135.00 136.33 1x5d s PRO 130 Ca 0.00 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 62.90 1x5d s PRO 130 Cb 0.00 -3.15 0.06 0.00 0.04 0.00 0.00 34.50 31.45 1x5d s PRO 130 CO 0.00 -0.13 1.65 0.77 0.04 0.00 0.00 177.00 179.34 1x5d h SER 131 N 4.36 -0.52 -3.08 6.66 0.02 -2.06 -3.41 113.55 115.52 1x5d h SER 131 Ca -0.47 0.12 -0.63 0.00 -0.84 0.00 0.00 61.79 59.98 1x5d h SER 131 Cb 1.22 0.29 -0.13 0.00 0.14 0.00 0.00 62.40 63.91 1x5d h SER 131 CO 0.71 -0.19 -0.69 -0.55 -1.14 0.00 0.00 176.83 174.97 1x5d s SER 132 N -5.14 4.57 0.00 3.07 0.15 -1.26 -5.32 113.70 109.77 1x5d s SER 132 Ca -0.14 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1x5d s SER 132 Cb 0.13 -0.91 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 1x5d s SER 132 CO 0.70 0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.86